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ION–SOLVENT INTERACTIONS 165
Fig. 2.65. Probability distribution of
cos for water molecules in the first
hydrationshell of Flexible
water,..., rigid water. (Reprinted from
E. Guardia and J. A. Padro, J. Phys.
Chem. 94: 6049,1990.)
of hydration numbers (and not coordination numbers!) Figure 2.65 shows the flexible
water model used.
Among the variations for the water molecule are a rigid and a flexible model, and
Guardia and Padro found that significant changes arose with the introduction of
flexibility in respect to orientation times. The most important aspect of this work is
the computation of the residence times (cf. Section 2.11.3).
